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MFCD00671851 molecular structure
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ethyl 8-bromonon-8-enoate

ChemBase ID: 73697
Molecular Formular: C11H19BrO2
Molecular Mass: 263.17136
Monoisotopic Mass: 262.05684185
SMILES and InChIs

SMILES:
BrC(=C)CCCCCCC(=O)OCC
Canonical SMILES:
CCOC(=O)CCCCCCC(=C)Br
InChI:
InChI=1S/C11H19BrO2/c1-3-14-11(13)9-7-5-4-6-8-10(2)12/h2-9H2,1H3
InChIKey:
GJTDGTQYGDMQLA-UHFFFAOYSA-N

Cite this record

CBID:73697 http://www.chembase.cn/molecule-73697.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 8-bromonon-8-enoate
IUPAC Traditional name
ethyl 8-bromonon-8-enoate
Synonyms
Ethyl 8-bromonon-8-enoate 97%
MDL Number
MFCD00671851
PubChem SID
162038616
PubChem CID
24721708

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 24721708 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5888798  LogD (pH = 7.4) 3.5888798 
Log P 3.5888798  Molar Refractivity 62.1266 cm3
Polarizability 24.21977 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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